2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid

C10H6F2N2O4S2 — CID 29041516

IUPAC2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(F)ccc(S(=O)(=O)Nc2nccs2)c1F
InChIInChI=1S/C10H6F2N2O4S2/c11-5-1-2-6(8(12)7(5)9(15)16)20(17,18)14-10-13-3-4-19-10/h1-4H,(H,13,14)(H,15,16)
InChIKeyVFHDHDSSTRHALY-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.92
Rot. Bonds4

About 2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid

2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid (PubChem CID 29041516) has the molecular formula C10H6F2N2O4S2 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
PubChem CID29041516
Molecular FormulaC10H6F2N2O4S2
Molecular Weight320.30 g/mol
Exact Mass319.97
IUPAC Name2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(F)ccc(S(=O)(=O)Nc2nccs2)c1F
InChIInChI=1S/C10H6F2N2O4S2/c11-5-1-2-6(8(12)7(5)9(15)16)20(17,18)14-10-13-3-4-19-10/h1-4H,(H,13,14)(H,15,16)
InChIKeyVFHDHDSSTRHALY-UHFFFAOYSA-N
XLogP1.92
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid (CID 29041516) is 2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid is O=C(O)c1c(F)ccc(S(=O)(=O)Nc2nccs2)c1F.
What is the InChIKey of 2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The InChIKey is VFHDHDSSTRHALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O4S2/c11-5-1-2-6(8(12)7(5)9(15)16)20(17,18)14-10-13-3-4-19-10/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid has a molecular weight of 320.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 29041516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).